Octylguanidine
TL;DR: Octylguanidine (CAS 3038-42-4) is a chemical compound with molecular formula C9H21N3 and molecular weight 171.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylguanidine
Also Known As: Octylguanidine, N-octylguanidine, 2-octylguanidine, 1-Octylguanidine, n-Octyl guanidine
| Molecular Formula | C9H21N3 |
|---|---|
| Molecular Weight | 171.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 171.17355 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 3038-42-4 |
|---|---|
| SMILES | CCCCCCCCN=C(N)N |
| InChIKey | XPYXSZDENRDLKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octylguanidine (CAS 3038-42-4), with molecular formula C9H21N3 and molecular weight 171.17 g/mol. IUPAC: 2-octylguanidine.
Chemical Property Profile of Octylguanidine
Property Insights of Octylguanidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octylguanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Octylguanidine. Following Lipinski's Rule of Five, Octylguanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octylguanidine?
The CAS number of Octylguanidine is 3038-42-4.
What is the molecular formula of Octylguanidine?
The molecular formula of Octylguanidine is C9H21N3.
What is the molecular weight of Octylguanidine?
The molecular weight of Octylguanidine is 171.17 g/mol.
Where can I buy Octylguanidine?
You can request a quote for Octylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylguanidine?
Yes, KEHONG BIO provides custom synthesis services for Octylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.